(3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide

C20H31N3O2 — CID 95945322

IUPAC(3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CC[C@H](Cc2ccccc2)C1)CN1CCOCC1
InChIInChI=1S/C20H31N3O2/c1-17(15-22-9-11-25-12-10-22)14-21-20(24)23-8-7-19(16-23)13-18-5-3-2-4-6-18/h2-6,17,19H,7-16H2,1H3,(H,21,24)/t17-,19-/m1/s1
InChIKeyIRESVKFTRFWBNU-IEBWSBKVSA-N
MW345.49 g/mol
LogP2.23
Rot. Bonds6

About (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide

(3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide (PubChem CID 95945322) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide
PubChem CID95945322
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CC[C@H](Cc2ccccc2)C1)CN1CCOCC1
InChIInChI=1S/C20H31N3O2/c1-17(15-22-9-11-25-12-10-22)14-21-20(24)23-8-7-19(16-23)13-18-5-3-2-4-6-18/h2-6,17,19H,7-16H2,1H3,(H,21,24)/t17-,19-/m1/s1
InChIKeyIRESVKFTRFWBNU-IEBWSBKVSA-N
XLogP2.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

4-benzyl-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111152603
2-amino-N-(2-methyl-3-morpholin-4-ylpropyl)-3-phenylpropanamide;dihydrochloride
CID 119868997
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
3-benzyl-N'-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725060
3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 127345387
2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416
3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide
CID 63573249
N-[2-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 111724827
4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111152499
(3S)-3-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 95930872
1-(1-benzylpiperidin-4-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111548951

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide (CID 95945322) is (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide is C[C@H](CNC(=O)N1CC[C@H](Cc2ccccc2)C1)CN1CCOCC1.
What is the InChIKey of (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is IRESVKFTRFWBNU-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-17(15-22-9-11-25-12-10-22)14-21-20(24)23-8-7-19(16-23)13-18-5-3-2-4-6-18/h2-6,17,19H,7-16H2,1H3,(H,21,24)/t17-,19-/m1/s1.
What are the key properties of (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide?
(3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95945322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).